2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C31H27N3O3S2 MolecularWeight: 553.69438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CC=C

InChI

InChI=1S/C31H27N3O3S2/c1-4-18-34-30(36)27-26(22-12-10-20(2)11-13-22)19-38-29(27)33-31(34)39-21(3)28(35)32-23-14-16-25(17-15-23)37-24-8-6-5-7-9-24/h4-17,19,21H,1,18H2,2-3H3,(H,32,35)